SCHEMBL17048709

SCHEMBL17048709

NCCc1c(Cl)cc(F)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 13/20 0.54
PNMT P11086 1/20 0.40
KRAS P01116 1/20 0.37
MAOB P27338 1/20 0.34
HTR1D P28221 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR2B P41595 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15819889 0.79 TAAR1 (0.36) TAAR1PNMTHTR2AHTR2CSLC6A4
SCHEMBL30350528 0.79 TAAR1 (0.36) TAAR1PNMTHTR2AHTR2CSLC6A4
SCHEMBL15819455 0.77 TAAR1 (0.65) TAAR1MAOBHTR1DHTR2AHTR2C
Hydrochloric Acid SCHEMBL29097400 0.75 TAAR1 (0.62) TAAR1MAOBHTR1D
SCHEMBL19816103 0.74 MEN1 (0.47) TAAR1
SCHEMBL3230557 0.73 KRAS (0.47) TAAR1KRASHTR1DHTR2AHTR2C
SCHEMBL1398129 0.73 DPP4 (0.36) TAAR1HTR2AHTR2CSLC6A4HTR2B
SCHEMBL20562048 0.72 TAAR1 (0.37) TAAR1KRASHTR1DHTR2AHTR2C
SCHEMBL1570497 0.71 TAAR1 (0.52) TAAR1PNMTMAOBHTR2AHTR2C
SCHEMBL25370371 0.70 IDO1 (0.33) TAAR1HTR2CSLC6A4HTR2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3110810-B1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LTD (JP) 2018-05-02 EP disclosed
EP-3110810-A1 PYRAZOLE AMIDE DERIVATIVE Teijin Pharma Limited (JP) 2017-01-04 EP disclosed
US-9365522-B2 Pyrazole amide derivative AMGEN INC. (US) 2016-06-14 US disclosed
US-9365522-B2 Pyrazole amide derivative AMGEN INC. (US) 2016-06-14 US disclosed
US-9365522-B2 Pyrazole amide derivative AMGEN INC. (US) 2016-06-14 US disclosed
US-20150266824-A1 Pyrazole Amide Derivative TEIJIN LIMITED (JP) 2015-09-24 US disclosed
US-20150266824-A1 Pyrazole Amide Derivative TEIJIN LIMITED (JP) 2015-09-24 US disclosed
US-20150266824-A1 Pyrazole Amide Derivative TEIJIN LIMITED (JP) 2015-09-24 US disclosed
WO-2015129926-A1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2015-09-03 WO disclosed
WO-2015129926-A1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2015-09-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150266824-A1 Pyrazole Amide Derivative RORC, RORB, RORA TAAR1 2978/4885PNMT 4702/4885KRAS 1078/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.